Information card for entry 7029093

Structure parameters

• Formula: C26 H48 F12 N4 Na2 O8 P2
• Calculated formula: C26 H48 F12 N4 Na2 O8 P2
• SMILES: [Na]123([F]P(F)(F)(F)(F)F)([O]=C4N(CCC4)CC[O]1CCN1C(=[O]2[Na]24([F]P(F)(F)(F)(F)F)([O]=C5N(CCC5)CC[O]2CCN2C(=[O]34)CCC2)[OH]C)CCC1)[OH]C
• Title of publication: N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.
• Authors of publication: Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 8
• Pages of publication: 3153 - 3161
• a: 11.1886 ± 0.0005 Å
• b: 13.3508 ± 0.0005 Å
• c: 13.6275 ± 0.0006 Å
• α: 90°
• β: 111.547 ± 0.005°
• γ: 90°
• Cell volume: 1893.37 ± 0.15 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No